Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 1603   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Coagulation factor X (Homo sapiens (Human))	BDBM12569 (GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...) Show SMILES CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C25H30ClN3O6S/c1-3-21(30)16-29(36(33,34)22-7-5-18-14-20(26)6-4-19(18)15-22)23-8-9-28(25(23)32)17(2)24(31)27-10-12-35-13-11-27/h4-7,14-15,17,23H,3,8-13,16H2,1-2H3/t17-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12557 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12567 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12558 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(p...) Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-16(22(28)26-11-4-3-5-12-26)27-13-10-21(23(27)29)25(2)32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20/h6-9,14-16,21H,3-5,10-13H2,1-2H3/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12561 (N-[(3S)-1-[(2S)-1-{2-azabicyclo[2.2.2]octan-2-yl}-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)| Show InChI InChI=1S/C24H28ClN3O4S/c1-15(23(29)28-14-16-2-7-20(28)8-3-16)27-11-10-22(24(27)30)26-33(31,32)21-9-5-17-12-19(25)6-4-18(17)13-21/h4-6,9,12-13,15-16,20,22,26H,2-3,7-8,10-11,14H2,1H3/t15-,16?,20?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12568 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H27ClN4O6S/c1-15(22(30)26-8-10-34-11-9-26)27-7-6-20(23(27)31)28(14-21(25)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H2,25,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	-48.6	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12538 (6-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	6	-46.9	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor X (Homo sapiens (Human))	BDBM12566 (6-chloro-N-methyl-N-[(3S)-1-[(2S)-1-(morpholin-4-y...) Show SMILES C[C@H](N1CC[C@H](N(C)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H26ClN3O5S/c1-15(21(27)25-9-11-31-12-10-25)26-8-7-20(22(26)28)24(2)32(29,30)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20H,7-12H2,1-2H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	-45.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12562 (6-chloro-N-[(3S)-1-[(2S)-1-[(1R,5S)-3,7-diazabicyc...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1C[C@H]2CNC[C@H](C2)C1 |r| Show InChI InChI=1S/C24H29ClN4O4S/c1-15(23(30)28-13-16-8-17(14-28)12-26-11-16)29-7-6-22(24(29)31)27-34(32,33)21-5-3-18-9-20(25)4-2-19(18)10-21/h2-5,9-10,15-17,22,26-27H,6-8,11-14H2,1H3/t15-,16-,17+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	-45.0	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12574 (6-chloro-N-[(3R)-2-oxo-1-[(2S)-1-oxo-1-(piperidin-...) Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	16	-44.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12573 (6-chloro-N-[(3R)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...) Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	40	-42.2	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12560 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(pyrrolidin...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C21H24ClN3O4S/c1-14(20(26)24-9-2-3-10-24)25-11-8-19(21(25)27)23-30(28,29)18-7-5-15-12-17(22)6-4-16(15)13-18/h4-7,12-14,19,23H,2-3,8-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	-41.7	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12571 (6-chloro-N-[(3R)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	53	-41.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12554 (N-[(3S)-1-[2-(azepan-1-yl)-2-oxoethyl]-2-oxopyrrol...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C23H28ClN3O4S/c1-25(32(30,31)20-9-7-17-14-19(24)8-6-18(17)15-20)21-10-13-27(23(21)29)16-22(28)26-11-4-2-3-5-12-26/h6-9,14-15,21H,2-5,10-13,16H2,1H3/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	60	-41.2	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12556 (6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-(piperidin-1-yl)...) Show SMILES Clc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H]1CCN(CC(=O)N2CCCCC2)C1=O |r| Show InChI InChI=1S/C21H24ClN3O4S/c22-17-6-4-16-13-18(7-5-15(16)12-17)30(28,29)23-19-8-11-25(21(19)27)14-20(26)24-9-2-1-3-10-24/h4-7,12-13,19,23H,1-3,8-11,14H2/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	63	-41.1	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12555 (6-chloro-N-methyl-N-[(3S)-2-oxo-1-[2-oxo-2-(piperi...) Show SMILES CN([C@H]1CCN(CC(=O)N2CCCCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-24(31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19)20-9-12-26(22(20)28)15-21(27)25-10-3-2-4-11-25/h5-8,13-14,20H,2-4,9-12,15H2,1H3/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	72	-40.8	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12570 (6-chloro-N-[(3R)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@@H](N1CC[C@@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	-40.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12575 (6-chloro-N-[(3S)-2-oxo-1-[(2R)-1-oxo-1-(piperidin-...) Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H26ClN3O4S/c1-15(21(27)25-10-3-2-4-11-25)26-12-9-20(22(26)28)24-31(29,30)19-8-6-16-13-18(23)7-5-17(16)14-19/h5-8,13-15,20,24H,2-4,9-12H2,1H3/t15-,20+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	82	-40.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12572 (6-chloro-N-[(3S)-1-[(2R)-1-(morpholin-4-yl)-1-oxop...) Show SMILES C[C@@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C21H24ClN3O5S/c1-14(20(26)24-8-10-30-11-9-24)25-7-6-19(21(25)27)23-31(28,29)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23H,6-11H2,1H3/t14-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	160	-38.8	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12563 (6-chloro-N-[(3S)-2-oxo-1-[(2S)-1-oxo-1-(piperazin-...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCNCC1 |r| Show InChI InChI=1S/C21H25ClN4O4S/c1-14(20(27)25-10-7-23-8-11-25)26-9-6-19(21(26)28)24-31(29,30)18-5-3-15-12-17(22)4-2-16(15)13-18/h2-5,12-14,19,23-24H,6-11H2,1H3/t14-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	320	-37.1	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12564 (6-chloro-N-[(3S)-1-[(2S)-1-(4-methylpiperazin-1-yl...) Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCN(C)CC1 |r| Show InChI InChI=1S/C22H27ClN4O4S/c1-15(21(28)26-11-9-25(2)10-12-26)27-8-7-20(22(27)29)24-32(30,31)19-6-4-16-13-18(23)5-3-17(16)14-19/h3-6,13-15,20,24H,7-12H2,1-2H3/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.06E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12559 (6-chloro-N-{1-[2-methyl-1-oxo-1-(piperidin-1-yl)pr...) Show SMILES CC(C)(N1CCC(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCCCC1 Show InChI InChI=1S/C23H28ClN3O4S/c1-23(2,22(29)26-11-4-3-5-12-26)27-13-10-20(21(27)28)25-32(30,31)19-9-7-16-14-18(24)8-6-17(16)15-19/h6-9,14-15,20,25H,3-5,10-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+4	-28.4	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair